1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane

C11F18 — CID 12563820

IUPAC1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F18/c12-2-1(4(13,14)5(2,15)16)3(10(24,25)26,11(27,28)29)6(17)7(18,19)9(22,23)8(6,20)21
InChIKeyOFYOFRCBBNISLM-UHFFFAOYSA-N
MW474.09 g/mol
LogP6.23
Rot. Bonds2

About 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane

1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane (PubChem CID 12563820) has the molecular formula C11F18 and a molecular weight of 474.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane
PubChem CID12563820
Molecular FormulaC11F18
Molecular Weight474.09 g/mol
Exact Mass473.97
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F18/c12-2-1(4(13,14)5(2,15)16)3(10(24,25)26,11(27,28)29)6(17)7(18,19)9(22,23)8(6,20)21
InChIKeyOFYOFRCBBNISLM-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.09
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane with MolForge

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Related Compounds

Perfluorohexamethyl dewar benzene
CID 141008
1,2,3,3,4,4-Hexakis(trifluoromethyl)cyclobutene
CID 139264064
1,3,3,4,4-Pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
CID 12563821
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
CID 14007676
1,2,3,4,5,6,7,8-Octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene
CID 134977949
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
1,3,3,4,4,5,5,6,6-Nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene
CID 12563814
1-[1,1,1,3,3,4,4,5,5,5-Decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
CID 12563822
4,4-Difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene
CID 12600360
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
CID 12708036
1,3,3,4,4,5,6,6-Octafluoro-2-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695339
1,1,2,2,3,3,4-Heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane
CID 12525332

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane (CID 12563820) is 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane is FC1=C(C(C(F)(F)F)(C(F)(F)F)C2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane?
The InChIKey is OFYOFRCBBNISLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F18/c12-2-1(4(13,14)5(2,15)16)3(10(24,25)26,11(27,28)29)6(17)7(18,19)9(22,23)8(6,20)21.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane?
1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane has a molecular weight of 474.09 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane is sourced from PubChem (CID 12563820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).